Sugi Predict

Sugi Predict / Compounds / SCHEMBL6311336

SCHEMBL6311336

SCHEMBL6311336

O=C(O)C1CCN(c2cccc(-c3cc(Sc4cc(-c5cccc(N6CCC(C(=O)O)CC6)c5)c(/C=C/C(=O)N5CCOCC5)c(Cl)c4Cl)c(Cl)c(Cl)c3/C=C/C(=O)N3CCOCC3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ITGAL P20701 17/20 0.44
▸ ITGB2 P05107 15/20 0.44
▸ ICAM1 P05362 15/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6197595 0.97 ITGAL (0.46) POLBRAB9AITGALITGB2ICAM1
SCHEMBL6308947 0.92 ITGAL (0.45) RAB9AITGALITGB2ICAM1
SCHEMBL6309507 0.91 ITGAL (0.46) RAB9AITGALITGB2ICAM1
SCHEMBL6318242 0.90 POLB (0.42) POLBRAB9AITGALITGB2ICAM1
SCHEMBL6310428 0.90 ITGAL (0.45) POLBRAB9AITGALITGB2ICAM1
SCHEMBL6317367 0.88 TDP1 (0.47) RAB9AITGALITGB2ICAM1
SCHEMBL6311416 0.87 ITGAL (0.41) RAB9AITGALITGB2ICAM1
SCHEMBL6308758 0.87 ITGAL (0.40) RAB9AITGALITGB2ICAM1
SCHEMBL6405996 0.86 ITGB2 (0.52) ITGALITGB2ICAM1
SCHEMBL6316931 0.86 NOTUM (0.45) ITGALITGB2ICAM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 — — US claimed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 — — US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 — — US disclosed